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2,3,5-Trithiahexane

2,3,5-Trithiahexane structure

CAS No:
42474-44-2
Formula:
C3H8S3
Chemical Name:
2,3,5-Trithiahexane
Synonyms:
Disulfide,methyl (methylthio)methyl;Methane,(methyldithio)(methylthio)-;Methyl (methylthio)methyl disulfide;2,4,5-Trithiahexane;2,3,5-Trithiahexane;(Methyldisulfanyl)(methylsulfanyl)methane
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

2,3,5-Trithiahexane has a powerful, penetrating aroma, reminiscent of onion.

Clear almost colourless liquid; powerful, penetrating aroma, reminiscent of onion

Methyl (methylthio)methyl disulfide is an organic disulfide.

2,3,5-Trithiahexane Basic Attributes

Molecular Weight：

140.277

Exact Mass：

140.29

UNII：

OSU2L4337E

NSC Number：

710988

DSSTox ID：

DTXSID80195261

Characteristics

PSA：

75.90000

XLogP3：

2.31810

Density：

1.169g/cm3

Boiling Point：

75-85 °C @ Press: 18 Torr

Flash Point：

63℃

Refractive Index：

1.58

Water Solubility：

1770 mg/L @ 25 °C (est)|Insoluble in water and heptane; soluble in triacetin|soluble (in ethanol)

Safety Information

Precautionary statement(s)：

P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, and P501|Aggregated GHS information provided by 1398 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,3,5-Trithiahexane Use and Manufacturing

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:140.3
XLogP3:1.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:139.97881378
Monoisotopic Mass:139.97881378
Topological Polar Surface Area:75.9
Heavy Atom Count:6
Complexity:22
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 42474-44-2

Content: 99.00%

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Guide of 2,3,5-Trithiahexane

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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2,3,5-Trithiahexane

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